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[1-(13)C]-4-(benzyloxy)-2-butanone
SpectraBase Compound ID FgV9uhQMKoE
InChI InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i1+1
InChIKey BTOZGSIVAZGXCH-OUBTZVSYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C1013CH14O2
Exact Mass 179.102735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXcqkOewq6B
Name [1-(13)C]-4-(Benzyloxy)-2-butanone
Comments Original formula: C10[13C]H14O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i1+1
InChIKey BTOZGSIVAZGXCH-OUBTZVSYSA-N
Literature Reference DOI 10.1002/cbic.201300254
Molecular Weight 179.223 g/mol
SMILES [13CH3]C(CCOCc1ccccc1)=O
SPLASH splash10-0006-9100000000-97ca6d2f6604773c4397
Source of Spectrum CBC-14-1189/SM4-28
Synonyms 4-(benzyloxy)butan-2-one-1-¹³C
Wiley ID 1786791